Information card for entry 1501669

Structure parameters

• Formula: C97 H69 Cl5 N4 O4 Sn
• Calculated formula: C97 H69 Cl5 N4 O4 Sn
• Title of publication: Formation of a hybrid compound composed of a saddle-distorted Tin(IV)-porphyrin and a Keggin-type heteropolyoxometalate to undergo intramolecular photoinduced electron transfer.
• Authors of publication: Yokoyama, Atsutoshi; Kojima, Takahiko; Ohkubo, Kei; Shiro, Motoo; Fukuzumi, Shunichi
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2011
• Journal volume: 115
• Journal issue: 6
• Pages of publication: 986 - 997
• a: 25.106 ± 0.007 Å
• b: 16.854 ± 0.004 Å
• c: 37.347 ± 0.009 Å
• α: 90°
• β: 92.653 ± 0.003°
• γ: 90°
• Cell volume: 15786 ± 7 ų
• Cell temperature: 183 K
• Ambient diffraction temperature: 183 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No